NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.4937 8.3649 119.5417 53.0530 42.1760 176.6926 3 Y 4.9049 7.7091 115.7649 54.8487 38.7951 176.3875 4 S 4.1327 9.1778 119.0861 61.8881 63.9545 175.1665 5 N 4.2968 8.2361 120.1285 56.0111 38.0653 177.0810 6 E 4.0440 8.2025 119.2194 59.3832 29.6098 179.1112 7 L 4.1278 8.3141 119.3420 57.7618 41.7807 179.7778 8 K 4.0124 8.3666 118.5303 59.5771 31.8056 179.3062 9 E 4.0285 8.0679 117.5143 59.2215 29.4650 178.8005 10 L 4.0974 8.1091 119.6524 58.1817 42.5032 178.3374 11 F 4.4027 8.5878 120.9036 61.2302 39.2399 177.1951 12 L 3.9718 7.8970 117.3288 55.6179 41.7435 178.1900 *14 N 4.6074 8.1058 116.0314 52.9587 40.5956 176.9590 15 Q 3.8875 7.7498 116.9462 59.0270 28.5177 179.0062 16 T 3.8351 7.8125 116.8152 66.6460 68.5102 176.0588 17 Y 3.9254 8.0194 120.6572 60.6456 38.8804 177.5206 18 A 3.9623 8.4419 122.0537 55.9126 18.4274 179.8644 19 T 3.8509 8.1538 114.0912 66.3914 68.4432 176.7612 20 L 3.9089 8.1012 122.6002 58.0690 42.1024 178.9051 21 F 3.9054 7.9566 120.6574 61.5871 39.3955 177.3019 22 T 3.9427 8.2696 109.5081 64.3861 68.5225 176.3599 23 L 3.8921 8.0943 123.6553 58.3122 42.1127 179.1269 24 T 3.8693 7.8419 109.6355 64.4743 68.8877 176.2804 25 N 4.1163 7.8572 119.5455 56.1935 38.5572 177.1897 26 K 3.9625 7.9641 120.7567 59.5434 32.3193 179.0332 27 I 3.8552 8.0360 120.4804 64.1378 36.8604 178.1841 28 Q 3.9444 8.2647 120.5640 59.3451 29.0464 178.3831 29 I 3.6771 7.5369 120.2173 64.5453 37.1690 178.3760 30 E 4.1065 8.7768 119.9209 59.2381 29.2060 179.6791 31 G 2.6570 8.3107 107.5266 46.8612 0.0000 175.2121 32 D 4.4653 8.2334 121.7871 57.3261 40.6681 179.3926 33 K 3.9123 7.6172 117.0817 59.5368 32.0916 178.8024 34 Y 3.7682 7.5386 115.7488 61.0248 37.8204 178.3645 35 F 4.4617 7.4124 117.4868 59.5113 39.1002 176.2113 36 G 4.3405 8.3424 110.2018 45.4942 0.0000 174.4629 37 I 4.3045 7.5204 109.9106 60.1321 38.6957 174.9342 38 L 4.9841 7.4954 119.8374 52.4443 45.5793 176.4146 39 T 4.4907 8.5914 111.5428 61.0459 71.0782 176.2037 40 S 4.3214 9.6620 117.9082 61.9014 62.5819 177.2798 41 R 4.0699 8.0003 119.0317 59.3692 30.1780 178.6511 42 Q 4.2084 8.0721 117.6622 59.1044 28.7532 178.4650 43 Y 3.6660 7.6598 116.8842 59.1915 38.7918 177.6746 *45 T 4.3046 7.7682 116.1030 63.5767 70.7730 176.3152 46 I 3.6722 7.6821 121.9260 64.2119 37.0522 178.2836 47 L 3.8738 7.7222 121.1862 58.1152 41.6197 179.1798 48 S 4.3141 8.0248 113.7554 61.6770 63.0309 176.1273 49 I 3.8664 7.8068 122.3922 64.5689 36.7220 178.4809 50 L 4.1248 7.8454 117.6114 57.2364 41.4990 178.3488 51 H 4.4747 7.8975 114.1883 55.7267 29.3641 175.2670 52 L 4.5022 6.8997 120.6649 52.5472 43.0850 174.9341 53 P 4.3520 0.0000 0.0000 63.0320 32.0844 177.8247 54 E 4.0003 9.0499 118.4665 59.4182 29.5023 178.3583 55 E 4.4787 8.0827 116.4435 57.7312 29.7378 177.2436 56 E 4.6992 8.0211 118.4094 56.3443 30.4374 176.4704 57 T 4.4385 7.6345 107.2163 61.4202 69.0348 174.3046 58 T 4.6082 7.2839 113.6335 61.3474 71.6203 174.5072 59 L 3.9690 8.4620 122.0286 58.1599 41.6762 179.3486 60 N 4.2734 8.1158 116.0746 56.9470 39.0029 176.4704 61 N 4.3669 8.3096 117.8367 56.3157 38.3674 177.5965 62 I 3.6920 7.7388 120.0649 64.1551 37.5437 177.6865 63 A 4.1867 8.3440 122.1966 55.4671 17.9336 179.6027 64 R 3.9375 7.7805 115.2844 59.3857 30.1848 179.3958 65 K 4.0351 7.6998 114.8856 56.9060 32.0353 176.8942 *67 G 4.0014 7.9038 104.2310 45.1125 0.0000 172.6871 68 T 4.6920 7.9114 115.1815 59.6296 70.6490 173.3089 69 S 4.7343 8.2869 114.9168 57.0852 66.0221 174.5952 70 K 3.8361 8.6071 122.7426 60.0913 31.6950 179.2106 71 Q 3.9800 8.0394 118.9066 59.2673 29.0397 177.8679 72 N 4.3787 8.1988 117.5362 56.4373 38.6008 177.5223 73 I 3.7623 7.8323 121.2830 64.1805 37.1760 177.8311 74 N 4.3438 8.7044 120.8956 57.4675 38.6682 177.8087 75 R 3.9709 7.8277 121.6467 61.3085 29.4979 180.4346 76 L 4.1843 7.8774 120.1686 57.8585 41.8313 180.0140 77 V 3.6041 8.4381 118.0284 65.7717 31.4016 177.9564 78 A 4.0007 8.1661 120.8459 55.0165 18.3605 179.0751 79 N 4.2496 8.4342 115.8213 56.8998 39.0248 177.1685 80 L 4.1487 8.2281 120.4888 57.4583 41.6437 179.2224 81 E 4.1150 8.0407 120.5526 58.5357 29.4448 178.4051 82 K 3.7856 7.6167 118.2657 59.8415 32.3153 178.0412 83 N 4.2333 7.6033 113.7901 53.9722 38.3126 176.2181 84 G 3.8539 7.6263 108.3605 45.6902 0.0000 173.9738 85 Y 4.6823 7.7396 118.8561 59.8211 38.7509 175.8877 86 V 4.9616 7.7093 110.9147 59.6718 36.6154 174.0538 87 D 5.0004 9.1014 123.3521 52.7691 43.2922 175.5020 88 V 4.9069 8.3531 122.3691 61.1447 33.5157 174.5542 89 I 4.8201 8.3924 120.0486 58.1856 41.5418 172.8599 90 P 4.5895 0.0000 0.0000 62.6157 31.9334 176.3408 91 S 4.3583 8.3895 119.1320 57.7021 62.3378 172.7488 92 P 4.3669 0.0000 0.0000 64.8982 31.5702 176.5741 93 H 4.7400 7.6089 114.7087 56.2801 29.5944 174.6961 94 D 4.5758 7.8208 121.5745 53.1062 43.6882 176.4438 95 K 4.0145 8.9561 131.1255 58.2128 32.0907 175.6288 96 R 4.0889 8.1657 115.7214 59.0867 29.8792 180.2838 97 A 4.5495 7.7059 119.4958 51.6130 19.9763 176.7127 98 I 4.8484 8.2185 112.0182 59.3750 40.8884 173.9749 99 N 5.4023 8.8456 119.0134 50.5487 42.3438 173.9653 100 V 4.7674 8.9362 123.2886 61.8225 34.1270 175.3950 101 K 4.6805 8.8319 131.4749 53.3258 34.4543 172.0265 102 V 4.3691 8.3437 125.3918 61.9927 32.3947 175.9848 103 T 4.3323 8.5527 118.4524 60.9513 70.5094 175.5243 104 D 4.3567 8.7572 121.1761 57.4921 40.8445 178.8568 105 L 4.1561 8.0261 120.5395 57.9120 41.9181 179.1614 106 G 3.5944 8.0264 105.1717 47.7198 0.0000 175.5662 107 K 4.1069 8.1828 120.3974 58.9485 32.3442 179.4300 108 K 4.1725 8.0866 118.7601 59.3330 31.9407 180.7791 109 V 3.3591 7.3783 116.3956 63.3925 31.4826 177.7657 *111 V 4.0121 7.7629 117.9052 62.8005 33.3270 177.5330 112 T 3.9042 7.9071 116.1795 67.0225 68.1922 176.5745 113 C 4.3241 8.4102 118.8277 62.8457 28.2088 176.2962 114 S 4.2661 8.2335 116.4600 61.5160 62.0280 176.5658 115 R 3.9194 7.8976 121.2803 59.8770 29.9267 178.6120 116 T 3.9418 7.9001 115.3448 66.6123 68.2047 176.4146 117 G 3.9748 8.5759 107.0809 48.3463 0.0000 175.2898 118 I 3.9448 7.5493 120.4341 64.2470 37.4922 178.0427 119 N 4.7034 7.9498 117.1463 55.9641 38.2420 177.6506 120 F 3.7242 8.1238 118.5630 58.7929 37.8169 176.4413 *122 A 4.0846 7.9156 121.1904 51.9052 20.1803 179.7165 123 D 4.3979 7.9785 115.3051 57.4995 41.1144 179.2412 124 V 3.1655 7.5322 117.8690 65.0714 31.4907 176.5379 125 F 4.8046 7.2596 114.0666 57.1850 39.0645 177.1210 126 H 4.1754 7.8553 118.6660 58.5155 28.2076 176.4056 127 E 4.1573 7.9223 117.2309 57.2216 29.8240 176.3308 128 F 4.6271 8.3263 119.2235 56.5609 40.1661 176.5110 129 T 4.2944 9.5790 116.9204 60.9728 70.8775 175.6986 130 K 3.8887 8.6135 122.1576 59.8927 32.0792 178.3105 131 D 4.3512 8.0813 117.7667 57.3298 41.1531 177.8917 132 E 4.0695 8.2041 118.7571 59.3262 29.3699 179.2912 133 L 4.0012 8.1266 119.0476 57.9925 41.7199 179.4356 134 E 4.2065 8.5032 118.5675 59.7196 29.3668 179.7318 135 T 3.9346 8.0851 115.8506 66.4291 68.5082 176.6116 136 L 4.0388 8.3711 122.5673 57.9408 42.1817 178.4518 137 W 4.5339 8.5303 128.7003 60.9141 30.5716 177.7065 138 S 3.8770 8.2030 112.6961 61.5005 61.5878 176.2012 139 L 4.1151 7.9012 120.4486 57.6016 41.4093 179.1363 140 L 4.2708 8.1468 118.6832 57.7375 41.6164 179.3091 141 K 4.2434 8.3230 118.6202 59.0828 31.6571 179.7467 142 K 4.0170 7.7055 116.0432 57.2659 31.9505 176.8040 *144 Y 4.6183 7.7994 120.0224 57.0195 40.4023 175.7231 145 R 4.9836 8.1344 114.0818 55.2517 29.7152 177.8772 146 F 4.1664 8.5552 116.2867 60.1407 37.5175 175.5238 147 N 4.2741 6.9085 115.8941 52.0897 37.0873 175.8926 148 G 3.8208 8.2703 108.0396 45.4818 0.0000 173.5765 149 E 4.4632 7.8450 119.9493 54.5869 30.1434 175.7852 150 E 4.5155 8.5063 123.6204 55.3067 30.5957 176.5734 151 Q 3.3242 8.2287 121.7169 56.1261 29.4741 175.9676 152 D 4.5776 8.2046 124.7095 52.5367 40.5065 175.7551 153 G 4.0999 7.8092 113.9115 44.0134 0.0000 171.3266 154 F 4.8041 8.6890 117.2859 57.4265 39.7987 177.5393 155 E 4.3224 8.4053 124.0360 58.8594 29.7943 179.0840 156 E 4.2692 8.2191 113.6983 57.5424 29.8858 182.9044 157 D 4.5235 7.9101 116.7551 58.1979 41.0524 178.1042 158 A 4.0539 7.9081 123.6749 56.0156 18.7220 179.5055 159 N 4.4846 7.6615 113.9509 51.2018 35.6863 174.9505 *165 E 3.9974 7.8887 120.2428 55.9650 30.2890 175.7721 166 I 4.1514 8.0623 128.7528 60.0156 36.3279 176.0185 167 D 4.7139 7.9831 126.5933 51.8414 42.4029 176.5619 168 K 3.9260 8.3535 120.1350 59.3300 32.1418 178.3614 169 I 3.6913 7.8279 119.4609 64.6889 37.0089 178.3640 170 K 4.0242 8.4723 119.1711 59.3854 31.3165 179.5482 171 S 4.1298 8.3094 114.8602 61.5246 62.7252 176.5523 172 E 3.9757 8.5386 122.1317 59.0198 29.1987 179.0161 173 A 4.0312 8.0509 120.8200 55.3794 18.5105 179.7635 174 L 4.0302 8.2258 117.4669 57.6869 41.7418 179.6009 175 E 4.0040 8.6534 119.2172 59.3701 29.3671 178.9015 176 E 3.9438 8.5485 119.6647 59.1294 29.6382 178.2497 177 F 4.1188 8.4862 120.6335 61.6787 39.4600 177.1491 178 A 3.8402 8.1472 119.8515 55.0355 17.6326 179.8154 179 K 3.9510 8.0430 116.8943 59.3934 32.0965 179.8639 180 R 3.8500 8.1318 118.5323 59.3120 29.8482 178.7913 181 R 3.8346 7.4755 117.4743 59.4883 29.9365 176.8355 182 N 4.5761 7.8929 111.5038 52.5244 39.0708 175.0194 183 R 3.7749 7.5674 116.4557 57.5135 27.8413 177.5684 184 V 3.7083 7.5298 109.3796 63.1670 32.1901 176.8355 185 N 4.6499 7.9462 119.3386 52.6769 39.1689 174.9271 186 K 3.9009 8.5114 116.2260 55.8955 28.2371 173.8405 187 N 4.5919 7.8877 118.3063 53.9038 39.6983 174.4133 188 D 4.2144 7.6561 121.7563 54.2530 38.8188 176.1657 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 D 8.36 4.49 0.00 2.71 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 7.71 4.90 0.00 3.07 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 S 9.18 4.13 0.00 4.04 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 N 8.24 4.30 0.00 2.77 2.95 0.00 0.00 7.08 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.20 4.04 0.00 2.37 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.53 0.00 7 L 8.31 4.13 0.00 1.89 1.74 0.96 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.37 4.01 0.00 1.99 1.90 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.71 7.81 9 E 8.07 4.03 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 10 L 8.11 4.10 0.00 1.69 1.92 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 11 F 8.59 4.40 0.00 3.05 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.90 3.97 0.00 2.12 1.94 0.95 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 *14 N 8.11 4.61 0.00 2.96 2.81 0.00 0.00 7.03 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 7.75 3.89 0.00 1.77 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.81 0.00 0.00 0.00 0.00 0.00 1.47 1.67 0.00 16 T 7.81 3.84 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 17 Y 8.02 3.93 0.00 2.98 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.44 3.96 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.15 3.85 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 20 L 8.10 3.91 0.00 1.81 1.73 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 21 F 7.96 3.91 0.00 2.68 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.27 3.94 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 23 L 8.09 3.89 0.00 1.83 1.93 0.88 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 24 T 7.84 3.87 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 25 N 7.86 4.12 0.00 2.80 2.80 0.00 0.00 6.55 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 7.96 3.96 0.00 1.83 1.91 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.47 7.81 27 I 8.04 3.86 1.85 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.56 0.91 0.00 0.00 28 Q 8.26 3.94 0.00 2.19 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 29 I 7.54 3.68 1.98 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.15 0.90 0.00 0.00 30 E 8.78 4.11 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 31 G 8.31 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.23 4.47 0.00 2.85 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.62 3.91 0.00 1.84 1.75 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.63 7.81 34 Y 7.54 3.77 0.00 1.92 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 F 7.41 4.46 0.00 3.07 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.34 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 I 7.52 4.30 1.90 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.70 0.93 0.00 0.00 38 L 7.50 4.98 0.00 1.46 1.49 0.72 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.59 4.49 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 40 S 9.66 4.32 0.00 3.94 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 R 8.00 4.07 0.00 1.82 2.04 0.00 3.25 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 42 Q 8.07 4.21 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.96 0.00 0.00 0.00 0.00 0.00 2.46 2.42 0.00 43 Y 7.66 3.67 0.00 2.61 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *45 T 7.77 4.30 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 46 I 7.68 3.67 1.76 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.96 0.78 0.00 0.00 47 L 7.72 3.87 0.00 1.43 1.46 0.81 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 48 S 8.02 4.31 0.00 4.08 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.81 3.87 2.03 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0.00 1.16 0.96 7.81 *67 G 7.90 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 T 7.91 4.69 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 69 S 8.29 4.73 0.00 4.10 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.61 3.84 0.00 1.83 1.94 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.55 1.54 7.81 71 Q 8.04 3.98 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.02 0.00 72 N 8.20 4.38 0.00 2.97 2.88 0.00 0.00 7.05 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 I 7.83 3.76 2.01 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.97 0.93 0.00 0.00 74 N 8.70 4.34 0.00 2.89 2.99 0.00 0.00 7.32 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 R 7.83 3.97 0.00 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0.00 0.00 127 E 7.92 4.16 0.00 1.93 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.06 0.00 128 F 8.33 4.63 0.00 3.17 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 T 9.58 4.29 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 130 K 8.61 3.89 0.00 1.87 1.89 0.00 1.74 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.54 1.52 7.81 131 D 8.08 4.35 0.00 2.86 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 E 8.20 4.07 0.00 2.39 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 133 L 8.13 4.00 0.00 1.89 1.54 0.72 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 134 E 8.50 4.21 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.60 0.00 135 T 8.09 3.93 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 136 L 8.37 4.04 0.00 2.02 1.88 1.06 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 137 W 8.53 4.53 0.00 3.41 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 S 8.20 3.88 0.00 3.91 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 L 7.90 4.12 0.00 1.87 1.77 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 140 L 8.15 4.27 0.00 1.96 1.90 1.06 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 141 K 8.32 4.24 0.00 1.83 1.75 0.00 1.32 0.00 0.00 1.14 0.00 0.00 2.13 0.00 0.00 2.30 0.00 0.00 0.00 0.00 1.49 1.34 7.81 142 K 7.71 4.02 0.00 1.89 2.01 0.00 1.87 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.48 7.81 *144 Y 7.80 4.62 0.00 3.27 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 R 8.13 4.98 0.00 2.07 2.24 0.00 3.14 0.00 0.00 3.34 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.57 0.00 146 F 8.56 4.17 0.00 3.18 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 N 6.91 4.27 0.00 2.42 1.61 0.00 0.00 6.20 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 G 8.27 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 E 7.84 4.46 0.00 2.19 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.13 0.00 150 E 8.51 4.52 0.00 1.96 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 151 Q 8.23 3.32 0.00 1.19 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.14 0.00 0.00 0.00 0.00 0.00 1.94 1.25 0.00 152 D 8.20 4.58 0.00 2.60 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 G 7.81 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 F 8.69 4.80 0.00 3.04 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 E 8.41 4.32 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.50 0.00 156 E 8.22 4.27 0.00 1.98 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.91 0.00 157 D 7.91 4.52 0.00 2.75 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 A 7.91 4.05 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 N 7.66 4.48 0.00 2.76 2.66 0.00 0.00 6.55 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *165 E 7.89 4.00 0.00 1.92 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.40 0.00 166 I 8.06 4.15 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.70 0.91 0.00 0.00 167 D 7.98 4.71 0.00 2.87 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 K 8.35 3.93 0.00 1.89 1.85 0.00 1.67 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.51 1.46 7.81 169 I 7.83 3.69 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.50 0.92 0.00 0.00 170 K 8.47 4.02 0.00 2.05 1.85 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.32 7.81 171 S 8.31 4.13 0.00 4.04 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 E 8.54 3.98 0.00 2.19 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 173 A 8.05 4.03 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 L 8.23 4.03 0.00 1.85 1.75 0.89 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 175 E 8.65 4.00 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 176 E 8.55 3.94 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.36 0.00 177 F 8.49 4.12 0.00 3.22 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 A 8.15 3.84 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 K 8.04 3.95 0.00 1.85 1.85 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.70 7.81 180 R 8.13 3.85 0.00 1.89 1.92 0.00 3.43 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 181 R 7.48 3.83 0.00 1.15 1.79 0.00 2.98 0.00 0.00 2.91 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 182 N 7.89 4.58 0.00 2.84 2.80 0.00 0.00 7.15 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 R 7.57 3.77 0.00 1.94 1.94 0.00 3.24 0.00 0.00 3.12 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.65 0.00 184 V 7.53 3.71 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.92 0.00 0.00 185 N 7.95 4.65 0.00 2.80 2.83 0.00 0.00 6.03 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 K 8.51 3.90 0.00 1.99 1.89 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.23 0.98 7.81 187 N 7.89 4.59 0.00 2.66 2.79 0.00 0.00 7.09 8.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 D 7.66 4.21 0.00 2.80 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.